Hi, >> I wonder if there a way to run g_cover in paralel in order to make >> things run faster? > > No. Obviously you can use -dt to reduce the number of frames you analyze.
In most cases it's not the reading of frames, but the diagonalization of the covariance matrix that consumes most of the time. It might be interesting to have it MPI enabled, especially since systems are getting bigger and bigger. Cheers, Tsjerk -- Tsjerk A. Wassenaar, Ph.D. Junior UD (post-doc) Biomolecular NMR, Bijvoet Center Utrecht University Padualaan 8 3584 CH Utrecht The Netherlands P: +31-30-2539931 F: +31-30-2537623 _______________________________________________ gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [email protected]. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
